4-[2-(cyclohexylamino)-1-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-3-(trifluoromethyl)benzamide

C23H23F5N2O3 — CID 69004347

IUPAC4-[2-(cyclohexylamino)-1-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(C(C(=O)NC2CCCCC2)c2ccc(OC(F)F)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C23H23F5N2O3/c24-22(25)33-16-9-6-13(7-10-16)19(21(32)30-15-4-2-1-3-5-15)17-11-8-14(20(29)31)12-18(17)23(26,27)28/h6-12,15,19,22H,1-5H2,(H2,29,31)(H,30,32)
InChIKeyALBSBOPFBPQFHZ-UHFFFAOYSA-N
MW470.44 g/mol
LogP4.99
Rot. Bonds7

About 4-[2-(cyclohexylamino)-1-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-3-(trifluoromethyl)benzamide

4-[2-(cyclohexylamino)-1-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-3-(trifluoromethyl)benzamide (PubChem CID 69004347) has the molecular formula C23H23F5N2O3 and a molecular weight of 470.44 g/mol. Its IUPAC name is 4-[2-(cyclohexylamino)-1-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-[2-(cyclohexylamino)-1-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-3-(trifluoromethyl)benzamide
PubChem CID69004347
Molecular FormulaC23H23F5N2O3
Molecular Weight470.44 g/mol
Exact Mass470.16
IUPAC Name4-[2-(cyclohexylamino)-1-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(C(C(=O)NC2CCCCC2)c2ccc(OC(F)F)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C23H23F5N2O3/c24-22(25)33-16-9-6-13(7-10-16)19(21(32)30-15-4-2-1-3-5-15)17-11-8-14(20(29)31)12-18(17)23(26,27)28/h6-12,15,19,22H,1-5H2,(H2,29,31)(H,30,32)
InChIKeyALBSBOPFBPQFHZ-UHFFFAOYSA-N
XLogP4.99
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.44
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexylamino)-1-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-[2-(cyclohexylamino)-1-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-3-(trifluoromethyl)benzamide (CID 69004347) is 4-[2-(cyclohexylamino)-1-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-[2-(cyclohexylamino)-1-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-[2-(cyclohexylamino)-1-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-3-(trifluoromethyl)benzamide is NC(=O)c1ccc(C(C(=O)NC2CCCCC2)c2ccc(OC(F)F)cc2)c(C(F)(F)F)c1.
What is the InChIKey of 4-[2-(cyclohexylamino)-1-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is ALBSBOPFBPQFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F5N2O3/c24-22(25)33-16-9-6-13(7-10-16)19(21(32)30-15-4-2-1-3-5-15)17-11-8-14(20(29)31)12-18(17)23(26,27)28/h6-12,15,19,22H,1-5H2,(H2,29,31)(H,30,32).
What are the key properties of 4-[2-(cyclohexylamino)-1-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
4-[2-(cyclohexylamino)-1-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 470.44 g/mol, XLogP of 4.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexylamino)-1-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 69004347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).